(Z)-2-(1-hydroxydec-1-enyl)but-2-enedioic acid

C14H22O5 — CID 175436031

IUPAC(Z)-2-(1-hydroxydec-1-enyl)but-2-enedioic acid
SMILESCCCCCCCCC=C(O)/C(=C/C(=O)O)C(=O)O
InChIInChI=1S/C14H22O5/c1-2-3-4-5-6-7-8-9-12(15)11(14(18)19)10-13(16)17/h9-10,15H,2-8H2,1H3,(H,16,17)(H,18,19)/b11-10-,12-9?
InChIKeyBWPJFCSPHOVZBD-DFIQSRCFSA-N
MW270.32 g/mol
LogP3.27
Rot. Bonds10

About (Z)-2-(1-hydroxydec-1-enyl)but-2-enedioic acid

(Z)-2-(1-hydroxydec-1-enyl)but-2-enedioic acid (PubChem CID 175436031) has the molecular formula C14H22O5 and a molecular weight of 270.32 g/mol. Its IUPAC name is (Z)-2-(1-hydroxydec-1-enyl)but-2-enedioic acid.

Molecular Properties

Compound Name(Z)-2-(1-hydroxydec-1-enyl)but-2-enedioic acid
PubChem CID175436031
Molecular FormulaC14H22O5
Molecular Weight270.32 g/mol
Exact Mass270.15
IUPAC Name(Z)-2-(1-hydroxydec-1-enyl)but-2-enedioic acid
SMILESCCCCCCCCC=C(O)/C(=C/C(=O)O)C(=O)O
InChIInChI=1S/C14H22O5/c1-2-3-4-5-6-7-8-9-12(15)11(14(18)19)10-13(16)17/h9-10,15H,2-8H2,1H3,(H,16,17)(H,18,19)/b11-10-,12-9?
InChIKeyBWPJFCSPHOVZBD-DFIQSRCFSA-N
XLogP3.27
TPSA94.83 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds10
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.32
LogP ≤ 53.27
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}, {'alert_name': 'polyene', 'substructure': 'N/A'}

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Related Compounds

2-nonadecylidenepropanedioic acid
CID 19832661
(Z)-2-hydroxyoct-2-enoic acid
CID 87585119
2-hexylidenepropanedioic acid
CID 21274064
2-hydroxyicosa-2,14-dienoic acid
CID 174406784
(E)-2-octadecanoylbut-2-enedioic acid
CID 87703911
(Z)-2-hydroxyoctadec-2-enamide
CID 166667258
(Z)-2-methylnon-2-enoic acid
CID 19098031
(E)-2-methylnonacos-2-enoic acid
CID 87108662
2-methylhentriacont-2-enoic acid
CID 141160211
2-hexylidenenonanal
CID 54074680
2-octadecyldocos-2-enal
CID 54072385
2-methylheptadec-2-enoic acid;hydrofluoride
CID 174883773

Frequently Asked Questions

What is the IUPAC name of (Z)-2-(1-hydroxydec-1-enyl)but-2-enedioic acid?
The IUPAC name of (Z)-2-(1-hydroxydec-1-enyl)but-2-enedioic acid (CID 175436031) is (Z)-2-(1-hydroxydec-1-enyl)but-2-enedioic acid.
What is the SMILES notation for (Z)-2-(1-hydroxydec-1-enyl)but-2-enedioic acid?
The canonical SMILES for (Z)-2-(1-hydroxydec-1-enyl)but-2-enedioic acid is CCCCCCCCC=C(O)/C(=C/C(=O)O)C(=O)O.
What is the InChIKey of (Z)-2-(1-hydroxydec-1-enyl)but-2-enedioic acid?
The InChIKey is BWPJFCSPHOVZBD-DFIQSRCFSA-N. The full InChI is InChI=1S/C14H22O5/c1-2-3-4-5-6-7-8-9-12(15)11(14(18)19)10-13(16)17/h9-10,15H,2-8H2,1H3,(H,16,17)(H,18,19)/b11-10-,12-9?.
What are the key properties of (Z)-2-(1-hydroxydec-1-enyl)but-2-enedioic acid?
(Z)-2-(1-hydroxydec-1-enyl)but-2-enedioic acid has a molecular weight of 270.32 g/mol, XLogP of 3.27, 10 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-2-(1-hydroxydec-1-enyl)but-2-enedioic acid is sourced from PubChem (CID 175436031), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).